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247082-83-3 | 1H-Indole-5-carboxylic acid, 1-acetyl-2,3-dihydro-2-oxo-, methyl ester
CAS No: 247082-83-3 Catalog No: AG002P4S MDL No:MFCD06658468
Product Description
Catalog Number:
AG002P4S
Chemical Name:
1H-Indole-5-carboxylic acid, 1-acetyl-2,3-dihydro-2-oxo-, methyl ester
CAS Number:
247082-83-3
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD06658468
IUPAC Name:
methyl 1-acetyl-2-oxo-3H-indole-5-carboxylate
InChI:
InChI=1S/C12H11NO4/c1-7(14)13-10-4-3-8(12(16)17-2)5-9(10)6-11(13)15/h3-5H,6H2,1-2H3
InChI Key:
PLXLACUZTXRZJP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)CC(=O)N2C(=O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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